Chemical ID: 4299394

c1ccc(cc1)C(=O)Nc2c(c3c(s2)CCCCC3)C(=O)Nc4ccc(cc4)Br
Chemical ID:
4299394
Name [?]:
9-benzamido-N-(4-bromophenyl)-8-thiabicyclo[5.3.0]deca-9,11-diene-10-carboxamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2c(c3c(s2)CCCCC3)C(=O)Nc4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H21BrN2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.9987
Area:633.787
Solvation:-2.846
Coulombic:-45.1121
Bond Count [?]
All:32
Single:22
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:469.395
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.48
LogP (Chemaxon):5.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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